ATOM 26
1 C1y C 19.9803 -16.6852
2 O2x O 18.8233 -17.3513
3 S2a S 19.9627 -15.2594
4 C1y C 21.1197 -17.3570
5 C1y C 18.8233 -18.6661
6 C2c C 19.9744 -13.9329
7 C1y C 21.1138 -18.6836
8 O1a O 22.2591 -16.6969
9 C1y C 19.9744 -19.3323
10 C1b C 17.6839 -19.3497
11 C1b C 18.7181 -13.2143
12 N2b N 21.1080 -13.2668
13 O1a O 22.2533 -19.3438
14 O1a O 19.9627 -20.6645
15 O1a O 16.5269 -18.7070
16 C1b C 17.4502 -13.9272
17 O2a O 22.2474 -12.5950
18 C2b C 16.1938 -13.1969
19 S4a S 23.4920 -13.5241
20 C2b C 14.9375 -13.9272
21 O1d O 24.5612 -12.3145
22 O1d O 22.3934 -14.6751
23 O1d O 24.7774 -14.3420
24 S4a S 13.6812 -13.1909
25 C1a C 12.4251 -13.9155
26 O1d O 13.6171 -11.6660
BOND 26
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1 #Down
8 5 9 1
9 5 10 1 #Up
10 6 11 1
11 6 12 2
12 7 13 1 #Up
13 9 14 1 #Down
14 10 15 1
15 11 16 1
16 12 17 1
17 16 18 1
18 17 19 1
19 18 20 2
20 19 21 2
21 19 22 2
22 19 23 1
23 20 24 1
24 24 25 1
25 24 26 2
26 7 9 1
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